Unexpected end of data file

LAMMPS LAMMPS Mailing List Mirror
1

Hi All,

I am pretty new at molecular dynamics and for starters I have been trying to run some example scripts. I tried running one meant to simulate glass but I keep getting the error message “Unexpected end of data file”. I don’t know what I am not doing right, I ave checked and edited using lammps data format.I Will be glad if you can help me look into the scripts for mistakes
Attached herein is my input, data and potential script.

in.Sio2.txt (732 Bytes)

SiO2.txt (523 Bytes)

pot.mod (274 Bytes)

2

You have defined the number of atoms present in your system as “2”, but you have positions of “10” atoms in the section “Atoms”.

3

contrary to your claims, your data file has multiple (and mostly rather obvious) errors.

  • the header says that there are 2 atoms, but in fact the file has coordinates for 10 atoms
  • the header keyword “atoms types” is incorrect, the keyword is “atom types”.
  • you are providing atom positions in fractional coordinates, but LAMMPS expects absolute coordinates
  • the entry for atom 8 is missing a value (there must be 6 numbers, but there are only 5)

axel.

4

…and the input file has multiple incorrectly spelled commands or commands with missing arguments, too.

please compare your input more closely to the documentation.